Geometry & MOs

Info

ID:	439246
PubChem CID:	135229013
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	200.131349
ΔH_f, kcal/mol:	24.64
Dipole, Da:	5.86
IP(EA), eV:	-9.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-butyl-1,7-dihydrodiazeto[4,1-a]isoindole

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)N2C(=CC(=O)N2)N

DOS

IR

Vibrations